4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide

C12H22N4O2 — CID 63695913

IUPAC4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
SMILESCCOCCN(CC)C(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C12H22N4O2/c1-4-9-10(13)11(15-14-9)12(17)16(5-2)7-8-18-6-3/h4-8,13H2,1-3H3,(H,14,15)
InChIKeyVXTRDUUNOYQHAF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.05
Rot. Bonds7

About 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide (PubChem CID 63695913) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
PubChem CID63695913
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide
SMILESCCOCCN(CC)C(=O)c1n[nH]c(CC)c1N
InChIInChI=1S/C12H22N4O2/c1-4-9-10(13)11(15-14-9)12(17)16(5-2)7-8-18-6-3/h4-8,13H2,1-3H3,(H,14,15)
InChIKeyVXTRDUUNOYQHAF-UHFFFAOYSA-N
XLogP1.05
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55227290
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-ethylamino]acetate
CID 62080806
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955204
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 62082355
N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 63691834
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082868
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
4-amino-5-ethyl-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
CID 62081656
4-amino-N-cyclopropyl-5-ethyl-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 55034194

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide (CID 63695913) is 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide is CCOCCN(CC)C(=O)c1n[nH]c(CC)c1N.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide?
The InChIKey is VXTRDUUNOYQHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-9-10(13)11(15-14-9)12(17)16(5-2)7-8-18-6-3/h4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-N,5-diethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63695913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).